N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C15H14ClN5S — CID 67453733

IUPACN-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCC(C)(Nc1nccc(-c2nccs2)n1)c1ncccc1Cl
InChIInChI=1S/C15H14ClN5S/c1-15(2,12-10(16)4-3-6-17-12)21-14-19-7-5-11(20-14)13-18-8-9-22-13/h3-9H,1-2H3,(H,19,20,21)
InChIKeyLATYCWLVQOMMLS-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.00
Rot. Bonds4

About N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 67453733) has the molecular formula C15H14ClN5S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID67453733
Molecular FormulaC15H14ClN5S
Molecular Weight331.83 g/mol
Exact Mass331.07
IUPAC NameN-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCC(C)(Nc1nccc(-c2nccs2)n1)c1ncccc1Cl
InChIInChI=1S/C15H14ClN5S/c1-15(2,12-10(16)4-3-6-17-12)21-14-19-7-5-11(20-14)13-18-8-9-22-13/h3-9H,1-2H3,(H,19,20,21)
InChIKeyLATYCWLVQOMMLS-UHFFFAOYSA-N
XLogP4.00
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 67453733) is N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is CC(C)(Nc1nccc(-c2nccs2)n1)c1ncccc1Cl.
What is the InChIKey of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is LATYCWLVQOMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5S/c1-15(2,12-10(16)4-3-6-17-12)21-14-19-7-5-11(20-14)13-18-8-9-22-13/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 331.83 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 67453733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).